1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate
TL;DR: 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate (CAS 83796-95-6) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,2-dimethylpropanoyloxy)-1-methylpyrrol-3-yl] 2,2-dimethylpropanoate
Also Known As: 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate, 1-Methyl-1H-pyrrole-2,3-diyl bis(2,2-dimethylpropanoate), Propanoic acid, 2,2-dimethyl-, 1-methyl-1H-pyrrole-2,3-diyl ester, [2-(2,2-dimethylpropanoyloxy)-1-methylpyrrol-3-yl] 2,2-dimethylpropanoate
| Molecular Formula | C15H23NO4 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.16272 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 83796-95-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=C(N(C=C1)C)OC(=O)C(C)(C)C |
| InChIKey | FSIJZEAZIHOQSS-UHFFFAOYSA-N |
Product Overview
1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate (CAS 83796-95-6), with molecular formula C15H23NO4 and molecular weight 281.16 g/mol. IUPAC: [2-(2,2-dimethylpropanoyloxy)-1-methylpyrrol-3-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate
Property Insights of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate
The XLogP value of 3.3 indicates that 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate?
The CAS number of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate is 83796-95-6.
What is the molecular formula of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate?
The molecular formula of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate is C15H23NO4.
What is the molecular weight of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate?
The molecular weight of 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate is 281.16 g/mol.
Where can I buy 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate?
You can request a quote for 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1H-pyrrole-2,3-diyl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.